4-Phenyldodecane
Basic information
- CAS
2719-64-4- Standard SMILES
CCCCCCCCC(CCC)c1ccccc1- InChIKey
RHDHXBLZBVAPTL-UHFFFAOYSA-N- Molecular formula
- C18H30
- Average molar mass
- 246.4 g/mol
- Monoisotopic mass
- 246.23475096
Names & identifiers
- Preferred name
- 4-Phenyldodecane
- IUPAC
- dodecan-4-ylbenzene
- English name
- 4-phenyldodecane
- Molecular formula
- C18H30
- Molecular weight
- 246.43
Names & synonyms
4-Phenyldodecane2719-64-4Benzene, (1-propylnonyl)-dodecan-4-ylbenzeneEINECS 220-327-4Benzene, (1propylnonyl)RefChem:526420220-327-4(Dodecan-4-yl)benzeneDodecane, 4-phenyl-(1-PROPYLNONYL)BENZENE(1-Propylnonyl)benzene #
Show more names
BENZENE,(1-PROPYLNONYL)-
SCHEMBL198761SCHEMBL3072581SCHEMBL6850756DTXSID10875105NS00048876
Database identifiers
- CAS
2719-64-4- PubChem CID
- 17631
- DTXSID
DTXSID10875105- EC Number
- 220-327-4
- Nikkaji
- J144.898F
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 167
Experimental & physicochemical properties
Chemical Classes
Other Classes -> Aromatic Hydrocarbons
Alkylbenzene
SpringerMaterials PropertiesDensity
LogP8.07
Vapor Pressure0.000584 [mmHg]
Physicochemical properties
- Boiling point
- 140 · 140-142 °C(Press: 0.6 Torr)
- Density
- 0.8489 g/cm3 · 0.8489 g/cm3(Temp: 30 °C)
- Henry's Law Constant
- 8.3 · 8.3×10-5 mol/(m3Pa) at 25℃, Sherblom et al. (1992)
- EPA Substance Registry System
- 4 · 4-Phenyldodecane (2719-64-4)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee Undecylbenzene.
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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